N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide Openeye Name: 3-[(4-isopropylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide Traditional Name: 3-(p-cumenylsulfonylamino)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C25H35N3O3S/c1-20(2)23-10-12-24(13-11-23)32(30,31)27-15-14-25(29)26-18-21-6-8-22(9-7-21)19-28-16-4-3-5-17-28/h6-13,20,27H,3-5,14-19H2,1-2H3,(H,26,29)/p+1